Compound Detail
CHEMBL1969879
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Basic Information
| ChEMBL ID | CHEMBL1969879 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCOHWQFOFWCBMH-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
303.4
MW (Da)
0.62
ALogP
5
HBA
2
HBD
85.3
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | Ki | 7.5 | 7.5 | 31.6 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | Ki | 6.5 | 6.5 | 316.2 | 1 |
| Aurora kinase B CHEMBL2185 | Ki | 5.7 | 5.7 | 1995.3 | 1 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | Ki | 5.7 | 5.7 | 1995.3 | 1 |
| Serine/threonine-protein kinase N2 CHEMBL3032 | Ki | 5.4 | 5.4 | 3981.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | Ki | = | 31.62 | nM | 7.5 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Tyrosine-protein kinase JAK2 | Ki | = | 316.23 | nM | 6.5 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Aurora kinase B | Ki | = | 1995.26 | nM | 5.7 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Non-receptor tyrosine-protein kinase TYK2 | Ki | = | 1995.26 | nM | 5.7 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Serine/threonine-protein kinase N2 | Ki | = | 3981.07 | nM | 5.4 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
Data from ChEMBL 36 via Core Engine